SCHEMBL16696155

SCHEMBL16696155

CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccc(F)cc32)nc(=O)c2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
CTSS P25774 6/20 0.37
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAT2A P31153 1/20 0.36
OPRL1 P41146 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16696068 0.90 NPSR1 (0.43) OPRM1NPSR1ALDH1A1POLBTSHR
SCHEMBL16696110 0.90 OPRL1 (0.44) OPRM1CTSSDRD2SLC6A4CYP3A4
SCHEMBL16696072 0.90 CYP3A4 (0.36) NPSR1ALDH1A1POLBTSHRCRHBP
SCHEMBL16696076 0.87 CYP3A4 (0.50) OPRM1DRD2SLC6A4CYP3A4MAT2A
SCHEMBL9978103 0.85 CYP3A4 (0.36) OPRM1NPSR1TSHRCRHBPCRHR2
SCHEMBL16696107 0.82 CYP3A4 (0.45) OPRM1DRD2SLC6A4CYP3A4OPRL1
SCHEMBL9978060 0.81 CYP3A4 (0.42) OPRM1CYP3A4OPRL1
SCHEMBL16696154 0.81 CYP3A4 (0.49) OPRM1CTSSDRD2SLC6A4CYP3A4
SCHEMBL9977956 0.81 CYP3A4 (0.53) CYP3A4
SCHEMBL16696092 0.80 OPRL1 (0.48) OPRM1NPSR1ALDH1A1TSHRCRHBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015065336-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed